SCHEMBL24925616

SCHEMBL24925616

COC(=O)C(C)CC(=O)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.52
CACNA1B Q00975 2/20 0.50
REN P00797 1/20 0.49
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ABCB1 P08183 1/20 0.47
BCL2 P10415 1/20 0.47
PPARA Q07869 1/20 0.47
ACE P12821 1/20 0.46
PTPN1 P18031 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
YAP1 P46937 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6780588 0.85 CTSS (0.54) KLK5CTSSCTSKCTSLCTSB
SCHEMBL7292396 0.85 CACNA1B (0.60) KLK5CACNA1BCTSSCTSKCTSL
SCHEMBL6438287 0.85 CACNA1B (0.60) KLK5CACNA1BCTSSCTSKCTSL
SCHEMBL9240969 0.85 CACNA1B (0.60) KLK5CACNA1BCTSSCTSKCTSL
SCHEMBL23331990 0.84 CACNA1B (0.47) KLK5CACNA1BRENCTSSCTSK
SCHEMBL23306678 0.84 CACNA1B (0.47) KLK5CACNA1BRENCTSSCTSK
SCHEMBL85543 0.84 CTSS (0.64) KLK5CTSSCTSKCTSLCTSB
SCHEMBL22404737 0.84 CTSS (0.64) KLK5CTSSCTSKCTSLCTSB
SCHEMBL3355326 0.84 CTSS (0.64) KLK5CTSSCTSKCTSLCTSB
SCHEMBL23331994 0.83 CTSS (0.54) KLK5CTSSCTSKCTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 KLK5 2230/4885CACNA1B 4762/4885REN 3897/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.